[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c28-22(25-20-11-14-26(16-20)15-18-5-2-1-3-6-18)17-30-23(29)19-7-9-21(10-8-19)27-13-4-12-24-27/h1-10,12-13,20H,11,14-17H2,(H,25,28)